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Type:	Artigo de Periódico
Title:	Novel zero-dimensional lead-free bismuth based perovskites: from synthesis to structural and optoelectronic characterization
Authors:	Mailde da Silva Ozório Willian Xerxes Coelho Oliveira Julian Francisco Rama Vieira Silveira Ana Flávia Nogueira Juarez Lopes Ferreira da Silva
Abstract:	Despite high photo-conversion efficiency, the short long-term stability and toxicity issues have prevented lead-based perovskites from becoming the standard in high efficiency solar cells. Hence, lead-free perovskites with low inorganic framework dimensionality have attracted great attention because of their optoelectronic properties and superior stability. In this work, we present a combined experimental and theoretical investigation of the structural and optoelectronic properties of three novel highly stable zero-dimensional perovskites (discrete connectivity of the inorganic framework), where fused octahedra [BixIy]z− are interspersed by large organic cations: H2bpy²+ for 1, Hdmphen+ for 2 and the combination of H2terpy+² and Hterpy+ for 3 (bpy = 4,4-bipyridine, dmphen = 2,9-dimethyl-1,10-phenanthroline, terpy = 2,2′;6′,2′′-terpyridine). In each of these compounds, the inorganic moieties display different morphologies, either edge-sharing bi-octahedra (Bi2I10 4−, 1), face-sharing bi-octahedra (Bi2I9³−, 2) or isolated octahedra (BiI6³−, 3). The consistent results of experimental and theoretical characterization reveal that distortions in the coordination octahedra are most prominent as the number of shared iodide species increases. The experimental optical response presents similar trends between all three materials, which is dominated by transitions inside the octahedron, while the transitions between cations and anionic bismuth-iodide clusters displayed very low intensity at a lower photon energy, an aspect that was described qualitatively well by theoretical characterization. Overall, these materials show different potential prospects, such as application in hybrid dimensional materials, acting as dielectrics for instance, or as a source of Bi for the synthesis of other lead-free perovskites.
Subject:	Química inorgânica Células solares Bismuto Minerais raros Optoeletrônica
language:	eng
metadata.dc.publisher.country:	Brasil
Publisher:	Universidade Federal de Minas Gerais
Publisher Initials:	UFMG
metadata.dc.publisher.department:	ICX - DEPARTAMENTO DE QUÍMICA
Rights:	Acesso Aberto
metadata.dc.identifier.doi:	https://doi.org/10.1039/D0MA00791A
URI:	http://hdl.handle.net/1843/49118
Issue Date:	2020
metadata.dc.url.externa:	https://pubs.rsc.org/en/content/articlelanding/2020/MA/D0MA00791A
metadata.dc.relation.ispartof:	Materials advances
Appears in Collections:	Artigo de Periódico

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